Derivatives of spin dynamics simulations
Derivatives of spin dynamics simulations
We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate, and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation, and stability analysis of spin dynamics simulations and experiments.
234108-[8 pages]
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Rodgers, Christopher T.
749e777d-8570-4d38-bc38-5221053af61c
17 December 2009
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Rodgers, Christopher T.
749e777d-8570-4d38-bc38-5221053af61c
Kuprov, Ilya and Rodgers, Christopher T.
(2009)
Derivatives of spin dynamics simulations.
The Journal of Chemical Physics, 131 (23), .
(doi:10.1063/1.3267086).
Abstract
We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate, and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation, and stability analysis of spin dynamics simulations and experiments.
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Published date: 17 December 2009
Organisations:
Computational Systems Chemistry
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Local EPrints ID: 337123
URI: http://eprints.soton.ac.uk/id/eprint/337123
ISSN: 0021-9606
PURE UUID: f18d1ee7-b5ec-43c8-b2a5-e9101a6122ef
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Date deposited: 19 Apr 2012 13:25
Last modified: 15 Mar 2024 03:43
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Author:
Christopher T. Rodgers
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